SCHEMBL9866151

SCHEMBL9866151

O=C(NC(=NCCCc1c[nH]cn1)NCCSCc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH2 P25021 5/20 0.36
HRH4 Q9H3N8 2/20 0.34
PSMB5 P28074 1/20 0.34
FTO Q9C0B1 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9866134 0.94 SCN5A (0.37) LMNASMN1; SMN2HRH2FTOSCN5A
SCHEMBL9866141 0.94 SCN5A (0.37) LMNASMN1; SMN2HRH2FTOSCN5A
SCHEMBL9867649 0.91 LMNA (0.49) LMNASMN1; SMN2HRH2HRH4SCN5A
SCHEMBL9865162 0.89 GAA (0.44) LMNASMN1; SMN2HRH2ALDH1A1GAA
SCHEMBL9866012 0.89 LMNA (0.53) LMNASMN1; SMN2SCN5ASCN2AALDH1A1
SCHEMBL9865910 0.89 KMT2A (0.43) LMNASMN1; SMN2HRH2SCN5ASCN2A
SCHEMBL9866319 0.88 ALDH1A1 (0.46) LMNASMN1; SMN2SCN5ASCN2AALDH1A1
SCHEMBL9867011 0.88 LMNA (0.43) LMNASMN1; SMN2HRH2HRH4SCN5A
SCHEMBL9869252 0.87 PSMB5 (0.48) LMNASMN1; SMN2HRH2HRH4PSMB5
SCHEMBL9866501 0.87 PSMB5 (0.48) LMNASMN1; SMN2HRH2HRH4PSMB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed